============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 26 0.840 13.517 -2.680 -71.959 -99.200 -91.000 TYR 29 0.840 21.556 -12.773 -64.898 -99.200 -91.000 TYR 30 0.840 14.794 -7.204 -61.051 -99.200 -91.000 TYR 35 0.840 16.159 -3.608 -53.072 -99.200 -91.000 TYR 38 0.840 18.173 1.131 -47.666 -99.200 -91.000 TYR 58 0.840 30.199 -14.852 -57.508 -99.200 -91.000 PHE 62 1.000 34.309 -11.509 -48.065 -99.200 -91.000 PHE 70 1.000 23.008 -12.034 -49.304 -99.200 -91.000 TYR 82 0.840 18.903 -13.508 -54.121 -99.200 -91.000 PHE 89 1.000 29.637 -11.927 -52.553 -99.200 -91.000 TYR 90 0.840 25.863 -17.079 -43.499 -99.200 -91.000 PHE 97 1.000 32.638 -11.345 -36.044 -99.200 -91.000 TYR 102 0.840 31.665 -5.751 -37.864 -99.200 -91.000 PHE 103 1.000 31.598 -8.373 -47.087 -99.200 -91.000 TRP 106 1.040 19.676 -4.879 -45.045 -99.200 -91.000 TRP6 106 1.020 19.543 -3.852 -42.920 -99.200 -91.000 PHE 112 1.000 13.441 -12.192 -42.139 -99.200 -91.000 PHE 139 1.000 10.854 -1.085 -32.415 -99.200 -91.000 HIS 145 0.900 21.260 -3.433 -23.411 -99.200 -91.000 PHE 149 1.000 15.507 -1.130 -35.152 -99.200 -91.000 PHE 152 1.000 16.458 3.517 -36.655 -99.200 -91.000 PHE 169 1.000 4.339 -3.889 -51.296 -99.200 -91.000 HIS 170 0.900 5.873 -10.531 -45.530 -99.200 -91.000 TRP 172 1.040 4.236 -18.096 -49.077 -99.200 -91.000 TRP6 172 1.020 3.171 -20.007 -48.177 -99.200 -91.000 PHE 179 1.000 14.234 -16.777 -34.158 -99.200 -91.000 PHE 188 1.000 24.016 -15.997 -37.457 -99.200 -91.000 PHE 189 1.000 19.656 -14.398 -38.187 -99.200 -91.000 PHE 202 1.000 4.918 -10.978 -40.162 -99.200 -91.000 TYR 209 0.840 21.197 -13.314 -29.726 -99.200 -91.000 TYR 211 0.840 29.656 -15.198 -36.823 -99.200 -91.000 TYR 214 0.840 23.475 -6.117 -39.054 -99.200 -91.000 TRP 218 1.040 10.777 -4.109 -41.944 -99.200 -91.000 TRP6 218 1.020 11.581 -1.886 -41.931 -99.200 -91.000 HIS 219 0.900 10.641 -5.097 -50.124 -99.200 -91.000 TYR 225 0.840 15.435 6.367 -52.492 -99.200 -91.000 TRP 227 1.040 8.059 8.135 -55.590 -99.200 -91.000 TRP6 227 1.020 7.176 9.255 -53.707 -99.200 -91.000 HIS 235 0.900 5.917 6.835 -51.104 -99.200 -91.000 PHE 244 1.000 20.453 9.185 -43.421 -99.200 -91.000 TYR 245 0.840 18.329 8.284 -38.071 -99.200 -91.000 PHE 249 1.000 23.342 -1.363 -37.983 -99.200 -91.000 PHE 250 1.000 24.599 -3.195 -45.473 -99.200 -91.000 HIS 259 0.900 36.994 -6.965 -47.099 -99.200 -91.000 HIS 260 0.900 42.537 -2.023 -50.408 -99.200 -91.000 PHE 261 1.000 36.392 -3.012 -56.487 -99.200 -91.000 TYR 273 0.840 28.825 6.382 -59.294 -99.200 -91.000 PHE 275 1.000 27.274 -1.856 -65.014 -99.200 -91.000 TYR 279 0.840 8.791 5.270 -66.143 -99.200 -91.000 PHE 286 1.000 11.033 -3.677 -58.349 -99.200 -91.000 TYR 290 0.840 20.986 1.183 -62.125 -99.200 -91.000 PHE 292 1.000 23.087 -4.770 -64.043 -99.200 -91.000